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	hartrees
Energy at 0K	-232.327570
Energy at 298.15K	-232.336244
Nuclear repulsion energy	180.423035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3296	3153	6.72
2	A	3199	3060	0.24
3	A	3172	3035	8.19
4	A	3168	3031	27.56
5	A	3119	2983	11.48
6	A	3102	2967	45.50
7	A	3055	2923	23.65
8	A	3030	2899	60.65
9	A	1738	1662	140.25
10	A	1520	1454	2.11
11	A	1505	1439	15.45
12	A	1492	1427	20.56
13	A	1483	1419	3.45
14	A	1480	1416	8.22
15	A	1428	1366	11.11
16	A	1407	1346	44.08
17	A	1318	1261	187.21
18	A	1208	1156	0.57
19	A	1171	1120	9.97
20	A	1148	1098	95.34
21	A	1061	1015	1.53
22	A	1020	976	4.39
23	A	935	894	6.74
24	A	851	814	68.26
25	A	823	787	10.46
26	A	737	705	3.67
27	A	539	516	7.53
28	A	483	462	3.21
29	A	424	406	1.12
30	A	351	336	0.81
31	A	273	261	0.94
32	A	219	209	2.19
33	A	92	88	7.81

Atom	x (Å)	y (Å)	z (Å)
C1	1.821	-0.090	0.165
H2	1.821	0.024	1.255
H3	2.637	-0.753	-0.122
H4	1.981	0.888	-0.302
O5	0.636	-0.711	-0.290
C6	-0.561	1.415	-0.038
H7	0.031	1.829	0.785
H8	-0.147	1.809	-0.972
H9	-1.582	1.781	0.067
C10	-0.555	-0.083	-0.038
C11	-1.645	-0.839	0.122
H12	-2.618	-0.382	0.240
H13	-1.574	-1.919	0.109

	C1	H2	H3	H4	O5	C6	H7	H8	H9	C10	C11	H12	H13
C1		1.0965	1.0895	1.0952	1.4134	2.8249	2.6970	2.9617	3.8846	2.3850	3.5461	4.4494	3.8566
H2	1.0965		1.7793	1.7875	2.0818	3.0458	2.5852	3.4665	4.0091	2.7072	3.7470	4.5715	4.0759
H3	1.0895	1.7793		1.7766	2.0088	3.8644	3.7792	3.8779	4.9249	3.2629	4.2895	5.2805	4.3752
H4	1.0952	1.7875	1.7766		2.0893	2.6089	2.4225	2.4133	3.6911	2.7280	4.0378	4.8013	4.5476
O5	1.4134	2.0818	2.0088	2.0893		2.4526	2.8239	2.7252	3.3548	1.3700	2.3210	3.3132	2.5496
C6	2.8249	3.0458	3.8644	2.6089	2.4526		1.0943	1.0950	1.0896	1.4977	2.5059	2.7453	3.4875
H7	2.6970	2.5852	3.7792	2.4225	2.8239	1.0943		1.7655	1.7653	2.1622	3.2193	3.4927	4.1327
H8	2.9617	3.4665	3.8779	2.4133	2.7252	1.0950	1.7655		1.7718	2.1487	3.2324	3.5174	4.1353
H9	3.8846	4.0091	4.9249	3.6911	3.3548	1.0896	1.7653	1.7718		2.1303	2.6209	2.4041	3.7002
C10	2.3850	2.7072	3.2629	2.7280	1.3700	1.4977	2.1622	2.1487	2.1303		1.3357	2.1028	2.1050
C11	3.5461	3.7470	4.2895	4.0378	2.3210	2.5059	3.2193	3.2324	2.6209	1.3357		1.0818	1.0827
H12	4.4494	4.5715	5.2805	4.8013	3.3132	2.7453	3.4927	3.5174	2.4041	2.1028	1.0818		1.8633
H13	3.8566	4.0759	4.3752	4.5476	2.5496	3.4875	4.1327	4.1353	3.7002	2.1050	1.0827	1.8633

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O5	C10	117.923	H2	C1	H3	108.965
H2	C1	H4	109.292	H2	C1	O5	111.455
H3	C1	H4	108.818	H3	C1	O5	106.028
H4	C1	O5	112.164	O5	C10	C6	117.509
O5	C10	C11	118.137	C6	C10	C11	124.256
H7	C6	H8	107.502	H7	C6	H9	107.864
H7	C6	C10	112.125	H8	C6	H9	108.394
H8	C6	C10	110.985	H9	C6	C10	109.837
C10	C11	H12	120.514	C10	C11	H13	120.647
H12	C11	H13	118.820

All results from a given calculation for CH₂C(CH₃)OCH₃ (1-Propene, 2-methoxy-)

using model chemistry: B1B95/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.218
2	H	0.152
3	H	0.165
4	H	0.145
5	O	-0.328
6	C	-0.566
7	H	0.169
8	H	0.182
9	H	0.172
10	C	0.271
11	C	-0.431
12	H	0.137
13	H	0.151

	x	y	z	Total
	0.945	1.720	0.527	2.032
CHELPG
AIM
ESP

	x	y	z
x	9.907	1.102	-0.170
y	1.102	7.953	-0.146
z	-0.170	-0.146	6.142

<r²>	128.332
(<r²>)^1/2	11.328

All results from a given calculation for CH2C(CH3)OCH3 (1-Propene, 2-methoxy-)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for CH₂C(CH₃)OCH₃ (1-Propene, 2-methoxy-)